Information card for entry 4306060

Structure parameters

• Formula: C46 H40 N4 O2 S2 Zn
• Calculated formula: C46 H40 N4 O2 S2 Zn
• Title of publication: Syntheses, Characterization, and Photochromic Studies of Spirooxazine-Containing 2,2'-Bipyridine Ligands and Their Zinc(II) Thiolate Complexes
• Authors of publication: Zhihong Bao; Ka-Yuen Ng; Vivian Wing-Wah Yam; Chi-Chiu Ko; Nianyong Zhu; Lixin Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8912 - 8920
• a: 11.832 ± 0.002 Å
• b: 12.058 ± 0.002 Å
• c: 15.333 ± 0.003 Å
• α: 86.26 ± 0.03°
• β: 76.8 ± 0.03°
• γ: 69.74 ± 0.03°
• Cell volume: 1997.8 ± 0.8 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No